Iberin

CAS Registry Number®

505-44-2
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CAS Name

Iberin

Molecular Formula

C5H9NOS2

Molecular Mass

163.26

Cite this Page

Iberin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=505-44-2 (retrieved 2024-04-29) (CAS RN: 505-44-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    149-156 °C @ Press: 0.06 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3

InChIKey

InChIKey=LELAOEBVZLPXAZ-UHFFFAOYSA-N

SMILES

C(CS(C)=O)CN=C=S

Canonical SMILES

O=S(C)CCCN=C=S

Other Names for this Substance

  • Propane, 1-isothiocyanato-3-(methylsulfinyl)-
  • Isothiocyanic acid, 3-(methylsulfinyl)propyl ester
  • 1-Isothiocyanato-3-(methylsulfinyl)propane
  • Iberin
  • 3-Methylsulfinylpropyl isothiocyanate

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